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Chemical ID: 5852389
Chemical ID:
5852389
Name [?]:
N-(4-ethylphenyl)-N'-[(2-hydroxyphenyl)methyleneamino]oxamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccccc2O
InChi [?]:
InChI=1/C17H17N3O3/c1-2-12-7-9-14(10-8-12)19-16(22)17(23)20-18-11-13-5-3-4-6-15(13)21/h3-11,21H,2H2,1H3,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,19,20,18,21,4,8,5,7,16,3,17,6,22,10,12,15,9,14,23,11,13/E:(7,8)(9,10)/rA:23nCCCCCCCCNCOCONNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75476 |
Area: | 528.394 |
Solvation: | -3.45508 |
Coulombic: | -61.329 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.335 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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